2GQP
N-Domain Of Grp94 In Complex With the Novel Ligand N-Propyl Carboxyamido Adenosine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-BM |
Synchrotron site | APS |
Beamline | 22-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2003-11-08 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.99997 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 65.690, 84.840, 95.740 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.780 - 1.500 |
Rwork | 0.215 |
R-free | 0.23500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1yt1 |
RMSD bond length | 0.006 |
RMSD bond angle | 1.400 |
Data reduction software | HKL-2000 |
Data scaling software | XDS |
Phasing software | MOLREP |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.780 | 1.560 |
High resolution limit [Å] | 1.500 | 1.500 |
Number of reflections | 86106 | |
<I/σ(I)> | 14.29 | 3.64 |
Completeness [%] | 99.9 | 100 |
Redundancy | 7.3 | 7.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.6 | 291 | 100 mM Tris pH 7.6 34% PEG 400 25 mM MgCl2 1uL ligand (in DMSO) per 50 protein for final conc 5mM , VAPOR DIFFUSION, HANGING DROP, temperature 291K |